7-氨基-1氢-吲唑-1-甲酸叔丁酯

tert-Butyl 7-amino-1H-indazole-1-carboxylate

HCID 19063674CAS 173459-53-5

子结构检索查找相似结构

基本信息

标准SMILES: CC(C)(C)OC(=O)n1ncc2cccc(N)c21
InChIKey: HNOIGXWKRHPKMS-UHFFFAOYSA-N
分子式: C12H15N3O2
平均分子量: 233.27 g/mol
单同位素质量: 233.11642672

名称与标识

首选名称: tert-Butyl 7-amino-1H-indazole-1-carboxylate
IUPAC: tert-butyl 7-aminoindazole-1-carboxylate
中文名: 7-氨基-1氢-吲唑-1-甲酸叔丁酯
英文名: 1H-Indazole-1-carboxylic acid, 7-aMino-, 1,1-diMethylethyl ester
分子式: C12H15N3O2
分子量: 233.27

名称与别名

173459-53-5tert-Butyl 7-amino-1H-indazole-1-carboxylateDTXSID30597736RefChem:894463DTXCID40548496tert-butyl 7-aminoindazole-1-carboxylateMFCD128277681-BOC-7-AMINOINDAZOLE1H-INDAZOLE-1-CARBOXYLIC ACID, 7-AMINO-, 1,1-DIMETHYLETHYL ESTER1-BOC-1H-INDAZOL-7-AMINE7-Amino-1H-indazole, N1-BOC protectedtert-Butyl7-amino-1H-indazole-1-carboxylate

展开更多名称

甲磺酸贝舒地尔杂质1071-Boc-1H-吲唑-7-胺7-氨基-1H-吲唑-1-羧酸叔丁酯7-氨基-1氢-吲唑-1-甲酸叔丁酯叔-丁基7-氨基-1H-吲唑-1-甲酸基酯7-氨基-1H-吲唑-1-羧酸,1,1-二甲基乙酯Belumosudil Mesylate Impurity 1071H-Indazole-1-carboxylic acid, 7-aMino-, 1,1-diMethylethyl e...

SCHEMBL8708836HNOIGXWKRHPKMS-UHFFFAOYSA-N1-Boc-7-aminoindazole, AldrichCPRAKOS0160046397-Amino-1-tert-butoxycarbonyl-indazolePB28454AS-50929SY098812

数据库标识

CAS: 173459-53-5
PubChem CID: 19063674
DTXSID: DTXSID30597736
EC Number: 110-777-9

性质

结构计算性质

XLogP: 2.2
极性表面积: 70.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 301

物理化学性质

沸点: 395.3 · 395.3±34.0 °C(Predicted)
密度: 1.24 · 1.24±0.1 g/cm3(Predicted)
储存条件: 2 · 2-8°C, protect from light
酸度系数(pKa): 2.95 · 2.95±0.10(Predicted)
形态: solid
外观: Yellow to orange Solid
InChI: 1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-8(7-14-15)5-4-6-9(10)13/h4-7H,13H2,1-3H3
InChIKey: HNOIGXWKRHPKMS-UHFFFAOYSA-N
SMILES: NC1=C2C(C=NN2C(OC(C)(C)C)=O)=CC=C1

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全数据

存储类别: 11 - Combustible Solids
海关编码: 2933998090
危险性类别: Acute Tox. 4 Oral

化学与工业

供应商30 家

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

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